Geometry & MOs

Info

ID:	297219
PubChem CID:	117613396
Reduced:	ClOF3N3C20H27 (1)
Stoich.:	ABC3D3E20F27 (1)
Weight, g/mol:	409.07259
ΔH_f, kcal/mol:	-166.27
Dipole, Da:	5.44
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S)-2-[[2-amino-2-(1,3-thiazol-2-yl)ethoxy]carbamoyl]piperidine-1-carbonyl]amino] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC(=CC(=C1Cl)C(F)(F)F)C2=NCC=C2CN(C)CCN

DOS

IR

Vibrations